%chk=000199201.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000199201

0 1
S -2.596064 1.277587 0.193493
O 3.765682 -0.447920 0.139449
O -3.690979 1.691195 1.047393
O -2.163026 2.127508 -0.880391
O 6.784298 0.386393 -0.377907
N -1.316085 1.171141 1.389150
N 0.241626 0.241725 -0.144363
N 0.944072 0.942978 2.099316
C -2.852027 -0.331548 -0.343766
C -3.708561 -1.174718 0.377232
C -2.227046 -0.793894 -1.506847
C -0.007443 0.784907 1.110230
C -3.934154 -2.480276 -0.061580
C -2.453991 -2.102695 -1.947496
C 2.535349 0.001055 0.558573
C -3.304259 -2.943508 -1.224355
C 4.897932 -0.221948 1.035783
C 1.506469 -0.137850 -0.408573
C 2.207823 0.546170 1.813602
C 6.086234 -0.714736 0.206201
H -1.471563 1.561745 2.335630
H -4.210097 -0.807450 1.279910
H -1.557436 -0.132682 -2.072224
H -4.599857 -3.136488 0.496911
H -1.967254 -2.462354 -2.852662
H -3.480929 -3.964461 -1.566289
H 4.976941 0.854686 1.269244
H 4.741547 -0.812012 1.953542
H 1.718061 -0.561924 -1.398198
H 2.944184 0.681147 2.613776
H 5.756564 -1.418633 -0.583851
H 6.859673 -1.192615 0.839021
H 6.228220 0.818176 -1.062854


%chk=000199201-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000199201

0 1
S -2.440225 1.125821 0.313421
O 4.122107 -0.275051 0.174670
O -3.590799 1.724655 1.295077
O -1.787428 2.017986 -0.870914
O 6.718047 0.566302 -0.806994
N -1.135899 0.610910 1.570429
N 0.465445 -0.124235 -0.018114
N 1.133749 0.815706 2.136264
C -3.048835 -0.513360 -0.390530
C -4.170451 -1.088548 0.226466
C -2.396453 -1.043344 -1.513711
C 0.201299 0.442321 1.207019
C -4.666698 -2.291809 -0.326443
C -2.913046 -2.245713 -2.049624
C 2.818646 -0.002683 0.591243
C -4.039033 -2.865667 -1.457304
C 5.229593 0.057254 1.104791
C 1.771413 -0.322900 -0.314894
C 2.439495 0.565732 1.833390
C 6.511226 -0.297948 0.354647
H -1.299797 1.122464 2.450663
H -4.642693 -0.603541 1.086580
H -1.522095 -0.541083 -1.936103
H -5.541342 -2.772935 0.122990
H -2.435131 -2.694137 -2.926590
H -4.431885 -3.796150 -1.881371
H 5.202870 1.140056 1.336618
H 5.126058 -0.534263 2.037261
H 2.008414 -0.755800 -1.292596
H 3.170415 0.847413 2.597759
H 6.484942 -1.369085 0.065379
H 7.382615 -0.126296 1.008557
H 5.929380 0.476629 -1.400939


